Publications

352 Publications visible to you, out of a total of 352

Further Development of Hydrogen-Bond Functions for Use in Determining Energetically Favorable Binding Sites on Molecules of Known Structure. 2. Ligand Probe Groups with the Ability To Form More Than Two Hydrogen Bonds

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Peter J. Goodford

Date Published: 1993

Publication Type: Journal

DOI: 10.1021/jm00053a019

Citation: J. Med. Chem. 36(1):148-156

Created: 13th Dec 2019 at 11:54, Last updated: 5th Mar 2024 at 21:24

Modeling three-dimensional structure and electrostatics of alkali-stable cyclomaltodextrin glucanotransferase

Molecular and Cellular Modeling

Abstract

Not specified

Authors: E. Demchuk, M. Vihinen, R. Wade, T. Korpela

Date Published: 1993

Publication Type: InCollection

Citation: In Stability and Stabilization of Enzymes, pp. pp291–298, Eds. van der Tweel,W.J.J.; Harder,A. and Buitelaar,R.M. Elsevier, Netherlands

Created: 13th Dec 2019 at 11:54, Last updated: 5th Mar 2024 at 21:24

Use of neural networks to predict hydration sites in proteins

Molecular and Cellular Modeling

Abstract

Not specified

Authors: R.C. Wade, H. Bohr, P.G. Wolynes

Date Published: 1993

Publication Type: InCollection

Citation: In Trends in QSAR and Molecular Modelling ’92, pp. pp396–397, Ed. Wermuth,C.G. ESCOM, Leiden

Created: 13th Dec 2019 at 11:54, Last updated: 5th Mar 2024 at 21:24

Molecular Interaction Fields

Molecular and Cellular Modeling

Abstract

Not specified

Author: R.C. Wade

Date Published: 1993

Publication Type: InCollection

Citation: In 3D QSAR in Drug Design. Theory, Methods and Applications, pp. pp486–505, Ed. Kubinyi,H. ESCOM, Leiden

Created: 13th Dec 2019 at 11:54, Last updated: 5th Mar 2024 at 21:24

Binding of an Antiviral Agent to a Sensitive and a Resistant Human Rhinovirus. Computer Simulations Studies with Sampling of Amino Acid Side-chain Conformations. I Mapping the Rotamers of Residue 188 of Viral Protein 1

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, J.Andrew McCammon

Date Published: 1992

Publication Type: Journal

DOI: 10.1016/0022-2836(92)90394-Y

Citation: Journal of Molecular Biology 225(3):679-696

Created: 13th Dec 2019 at 11:56, Last updated: 5th Mar 2024 at 21:24

Binding of an Antiviral Agent to a Sensitive and a Resistant Human Rhinovirus. Computer Simulations Studies with Sampling of Amino Acid Side-chain Conformations. II. Calculations of Free-energy Differences by Thermodynamic Integration

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, J.Andrew McCammon

Date Published: 1992

Publication Type: Journal

DOI: 10.1016/0022-2836(92)90395-Z

Citation: Journal of Molecular Biology 225(3):697-712

Created: 13th Dec 2019 at 11:56, Last updated: 5th Mar 2024 at 21:24

Prediction of Water Binding Sites on Proteins by Neural Networks

Molecular and Cellular Modeling

Abstract

Not specified

Authors: Rebecca C. Wade, Henrik Bohr, Peter G. Wolynes

Date Published: 1992

Publication Type: Journal

DOI: 10.1021/ja00047a046

Citation: J. Am. Chem. Soc. 114(21):8284-8285

Created: 13th Dec 2019 at 11:56, Last updated: 5th Mar 2024 at 21:24

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